element(s): ['C'] AFLOW prototype label: A_cP1_221_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['1.774'] model name: MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0 0 0]] spacegroup = 221 cell = [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]] ========================================= Step Time Energy fmax BFGS: 0 14:14:22 -4.695439 2.6713 BFGS: 1 14:14:22 -4.903024 1.0478 BFGS: 2 14:14:22 -4.950246 0.2594 BFGS: 3 14:14:22 -4.953801 0.0358 BFGS: 4 14:14:22 -4.953873 0.0015 BFGS: 5 14:14:22 -4.953873 0.0000 BFGS: 6 14:14:22 -4.953873 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.6218757100830944e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[1.9021664999646168, -3.559116005188716e-33, -1.155282690123953e-33], [-1.852323213759228e-33, 1.9021664999646168, -1.2201892788955791e-18], [1.570798266770534e-33, -1.2201892788955793e-18, 1.9021664999646168]]) forces = [[0. 0. 0.]] stress = [-3.62187571e-10 -3.62187571e-10 -3.62187571e-10 -1.28411658e-26 -2.14325169e-35 -4.80303221e-52] energy per atom = -4.953873289485596 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0